4-bromanyl-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-bromanyl-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-bromo-N-[1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-bromo-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-bromo-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-bromo-N-[1-[2-keto-2-(2-thenylamino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)Br)CC(=O)NCC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)Br)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H22BrN3O2S/c20-15-5-3-14(4-6-15)19(25)22-16-7-9-23(10-8-16)13-18(24)21-12-17-2-1-11-26-17/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/p+1